2-(4-aminophenyl)-N-(4-methylcyclohexyl)-N-(oxolan-2-ylmethyl)acetamide;hydrochloride

C20H31ClN2O2 — CID 119805627

IUPAC2-(4-aminophenyl)-N-(4-methylcyclohexyl)-N-(oxolan-2-ylmethyl)acetamide;hydrochloride
SMILESCC1CCC(N(CC2CCCO2)C(=O)Cc2ccc(N)cc2)CC1.Cl
InChIInChI=1S/C20H30N2O2.ClH/c1-15-4-10-18(11-5-15)22(14-19-3-2-12-24-19)20(23)13-16-6-8-17(21)9-7-16;/h6-9,15,18-19H,2-5,10-14,21H2,1H3;1H
InChIKeyZLGJHETWUAVHQQ-UHFFFAOYSA-N
MW366.93 g/mol
LogP3.82
Rot. Bonds5

About 2-(4-aminophenyl)-N-(4-methylcyclohexyl)-N-(oxolan-2-ylmethyl)acetamide;hydrochloride

2-(4-aminophenyl)-N-(4-methylcyclohexyl)-N-(oxolan-2-ylmethyl)acetamide;hydrochloride (PubChem CID 119805627) has the molecular formula C20H31ClN2O2 and a molecular weight of 366.93 g/mol. Its IUPAC name is 2-(4-aminophenyl)-N-(4-methylcyclohexyl)-N-(oxolan-2-ylmethyl)acetamide;hydrochloride.

Molecular Properties

Compound Name2-(4-aminophenyl)-N-(4-methylcyclohexyl)-N-(oxolan-2-ylmethyl)acetamide;hydrochloride
PubChem CID119805627
Molecular FormulaC20H31ClN2O2
Molecular Weight366.93 g/mol
Exact Mass366.21
IUPAC Name2-(4-aminophenyl)-N-(4-methylcyclohexyl)-N-(oxolan-2-ylmethyl)acetamide;hydrochloride
SMILESCC1CCC(N(CC2CCCO2)C(=O)Cc2ccc(N)cc2)CC1.Cl
InChIInChI=1S/C20H30N2O2.ClH/c1-15-4-10-18(11-5-15)22(14-19-3-2-12-24-19)20(23)13-16-6-8-17(21)9-7-16;/h6-9,15,18-19H,2-5,10-14,21H2,1H3;1H
InChIKeyZLGJHETWUAVHQQ-UHFFFAOYSA-N
XLogP3.82
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.93
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-(4-aminophenyl)-N-methyl-N-(oxolan-2-ylmethyl)acetamide
CID 61430867
3-amino-N-(4-methylcyclohexyl)-N-(oxolan-2-ylmethyl)propanamide
CID 119336162
2-(4-aminophenyl)-N-benzyl-N-(oxolan-2-ylmethyl)acetamide
CID 119747350
4-amino-N-methyl-N-(oxolan-2-ylmethyl)benzamide;hydrochloride
CID 119708774
2-(4-aminophenyl)-N-cyclohexyl-N-(cyclopropylmethyl)acetamide
CID 119769987
5-amino-N-cyclopentyl-2-methyl-N-(oxolan-2-ylmethyl)benzamide;hydrochloride
CID 120636360
N-[(3R)-1,1-dioxothiolan-3-yl]-N-[[(2R)-oxolan-2-yl]methyl]-2-(4-phenylphenyl)acetamide
CID 9449873
N-[(3R)-1,1-dioxothiolan-3-yl]-N-[[(2S)-oxolan-2-yl]methyl]-2-(4-phenylphenyl)acetamide
CID 9449872
5-amino-N-cyclopentyl-2-methyl-N-(oxolan-2-ylmethyl)benzamide
CID 120636361
2-(4-aminophenyl)-N-cyclopropyl-N-methylacetamide
CID 43264480
4-amino-N-methyl-N-(oxan-2-ylmethyl)benzamide;hydrochloride
CID 119746333
4-[[ethyl(oxolan-2-ylmethyl)amino]methyl]aniline
CID 43458835

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminophenyl)-N-(4-methylcyclohexyl)-N-(oxolan-2-ylmethyl)acetamide;hydrochloride?
The IUPAC name of 2-(4-aminophenyl)-N-(4-methylcyclohexyl)-N-(oxolan-2-ylmethyl)acetamide;hydrochloride (CID 119805627) is 2-(4-aminophenyl)-N-(4-methylcyclohexyl)-N-(oxolan-2-ylmethyl)acetamide;hydrochloride.
What is the SMILES notation for 2-(4-aminophenyl)-N-(4-methylcyclohexyl)-N-(oxolan-2-ylmethyl)acetamide;hydrochloride?
The canonical SMILES for 2-(4-aminophenyl)-N-(4-methylcyclohexyl)-N-(oxolan-2-ylmethyl)acetamide;hydrochloride is CC1CCC(N(CC2CCCO2)C(=O)Cc2ccc(N)cc2)CC1.Cl.
What is the InChIKey of 2-(4-aminophenyl)-N-(4-methylcyclohexyl)-N-(oxolan-2-ylmethyl)acetamide;hydrochloride?
The InChIKey is ZLGJHETWUAVHQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O2.ClH/c1-15-4-10-18(11-5-15)22(14-19-3-2-12-24-19)20(23)13-16-6-8-17(21)9-7-16;/h6-9,15,18-19H,2-5,10-14,21H2,1H3;1H.
What are the key properties of 2-(4-aminophenyl)-N-(4-methylcyclohexyl)-N-(oxolan-2-ylmethyl)acetamide;hydrochloride?
2-(4-aminophenyl)-N-(4-methylcyclohexyl)-N-(oxolan-2-ylmethyl)acetamide;hydrochloride has a molecular weight of 366.93 g/mol, XLogP of 3.82, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminophenyl)-N-(4-methylcyclohexyl)-N-(oxolan-2-ylmethyl)acetamide;hydrochloride is sourced from PubChem (CID 119805627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).